Sign In Join Free

Products Information

2-Isobutyl thiazole
2-Isobutyl thiazole ID: B184406
CAS:18640-74-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:n1c(scc1)CC(C)C	
FORMULA: C7H11NS
MASS: 141.2339
EXACT MASS: 141.0612204
INTERATOMIC DISTANCES

              N   1      C   2      S   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6875     0.0000 
   S   3    1.1944     0.6875     0.0000 
   C   4    1.1917     1.3779     1.2021     0.0000 
   C   5    1.3758     1.1917     0.6946     0.6917     0.0000 
   C   6    1.1985     0.6946     1.1917     2.0725     1.8256     0.0000 
   C   7    1.8264     1.1985     1.3758     2.4900     2.0704     0.6875 
   C   8    2.0750     1.3875     1.1944     2.3965     1.8290     1.1985 
   C   9    2.3970     1.8344     2.0704     3.1691     2.7650     1.1985 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    0.6946     0.0000 
   C   9    0.6946     1.2000     0.0000 



ATOMIC CHARGES
   N   1   -0.2411603319
   C   2    0.0882654593
   S   3   -0.0701861634
   C   4    0.1060419445
   C   5    0.0571881920
   C   6    0.0525634291
   C   7    0.0064571172
   C   8    0.0004151767
   C   9    0.0004151767


BOND ANGLES
   2    1    4  Car  Nar  Car     90.202
   1    2    3  Nar  Car   S2    120.605
   1    2    6  Nar  Car   C3    120.256
   3    2    6   S2  Car   C3    119.139
   2    3    5  Car   S2  Car    119.139
   1    4    5  Nar  Car  Car     89.798
   3    5    4   S2  Car  Car    120.256
   2    6    7  Car   C3   C3    120.256
   6    7    8   C3   C3   C3    120.256
   6    7    9   C3   C3   C3    120.256
   8    7    9   C3   C3   C3    119.487


TORSION ANGLES
   3    2    1    4      0.026
   6    2    1    4    179.974
   5    3    2    1      0.026
   5    3    2    6    179.974
   5    4    1    2      0.026
   3    5    4    1      0.026
   7    6    2    1    179.974
   7    6    2    3      0.026
   8    7    6    2      0.026
   9    7    6    2    179.974
   4    5    3    2      0.026